Information card for entry 7122079

Structure parameters

• Formula: C26 H22 Mo N6 O3
• Calculated formula: C26 H22 Mo N6 O3
• Title of publication: (Et₄N)[Mo^III(DAPBH)Cl₂], the first pentagonal-bipyramidal Mo(iii) complex with a N₃O₂-type Schiff-base ligand: manifestation of unquenched orbital momentum and Ising-type magnetic anisotropy.
• Authors of publication: Manakin, Yu V.; Mironov, V. S.; Bazhenova, T. A.; Lyssenko, K. A.; Gilmutdinov, I. F.; Bikbaev, K. Sh; Masitov, A. A.; Yagubskii, E. B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 72
• Pages of publication: 10084 - 10087
• a: 7.531 ± 0.002 Å
• b: 21.121 ± 0.006 Å
• c: 14.986 ± 0.004 Å
• α: 90°
• β: 91.728 ± 0.006°
• γ: 90°
• Cell volume: 2382.6 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No